tert-butyl (2S)-2-[[4-(5-azanyl-5-oxidanylidene-pentoxy)-2-oxidanyl-phenyl]methyl-(4-nitrophenyl)carbonyl-amino]-3-methyl-butanoate

Systemtic Name: tert-butyl (2S)-2-[[4-(5-azanyl-5-oxidanylidene-pentoxy)-2-oxidanyl-phenyl]methyl-(4-nitrophenyl)carbonyl-amino]-3-methyl-butanoate Openeye Name: tert-butyl (2S)-2-[[4-(5-amino-5-oxo-pentoxy)-2-hydroxy-phenyl]methyl-(4-nitrobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[4-(5-amino-5-oxopentoxy)-2-hydroxyphenyl]methyl-[(4-nitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[4-(5-amino-5-oxopentoxy)-2-hydroxyphenyl]methyl-(4-nitrobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[[4-(5-amino-5-keto-pentoxy)-2-hydroxy-benzyl]-(4-nitrobenzoyl)amino]-3-methyl-butyric acid tert-butyl ester Formula: C28H37N3O8 MolecularWeight: 543.60868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)(C)C)N(CC1=C(C=C(C=C1)OCCCCC(=O)N)O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)OC(C)(C)C)N(CC1=C(C=C(C=C1)OCCCCC(=O)N)O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C28H37N3O8/c1-18(2)25(27(35)39-28(3,4)5)30(26(34)19-9-12-21(13-10-19)31(36)37)17-20-11-14-22(16-23(20)32)38-15-7-6-8-24(29)33/h9-14,16,18,25,32H,6-8,15,17H2,1-5H3,(H2,29,33)/t25-/m0/s1